1,2-Oleoylthionphosphatidylcholine
TL;DR: 1,2-Oleoylthionphosphatidylcholine (CAS 81846-28-8) is a chemical compound with molecular formula C44H84NO7PS and molecular weight 801.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-oxidophosphinothioyl]oxyethyl-trimethylazanium
Also Known As: DOTPC, 1,2-Oleoylthionphosphatidylcholine, Dioleoyl-thion-phosphatidylcholine, 1,2-Oleoylthion-sn-glycero-3-phosphocholine, 2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-oxidophosphinothioyl]oxyethyl-trimethylazanium
| Molecular Formula | C44H84NO7PS |
|---|---|
| Molecular Weight | 801.57 g/mol |
| LogP | 11.8406 |
| Topological Polar Surface Area | 94.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 40 |
| Exact Mass | 801.5706 |
| Heavy Atoms | 54 |
| Complexity | 984.4728 |
Chemical Identifiers
| CAS Number | 81846-28-8 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=S)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC |
Product Overview
1,2-Oleoylthionphosphatidylcholine (CAS 81846-28-8), with molecular formula C44H84NO7PS and molecular weight 801.57 g/mol. IUPAC: 2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-oxidophosphinothioyl]oxyethyl-trimethylazanium.
Chemical Property Profile of 1,2-Oleoylthionphosphatidylcholine
Property Insights of 1,2-Oleoylthionphosphatidylcholine
The XLogP value of 11.8406 indicates that 1,2-Oleoylthionphosphatidylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Oleoylthionphosphatidylcholine. Following Lipinski's Rule of Five, 1,2-Oleoylthionphosphatidylcholine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Oleoylthionphosphatidylcholine?
The CAS number of 1,2-Oleoylthionphosphatidylcholine is 81846-28-8.
What is the molecular formula of 1,2-Oleoylthionphosphatidylcholine?
The molecular formula of 1,2-Oleoylthionphosphatidylcholine is C44H84NO7PS.
What is the molecular weight of 1,2-Oleoylthionphosphatidylcholine?
The molecular weight of 1,2-Oleoylthionphosphatidylcholine is 801.57 g/mol.
Where can I buy 1,2-Oleoylthionphosphatidylcholine?
You can request a quote for 1,2-Oleoylthionphosphatidylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Oleoylthionphosphatidylcholine?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Oleoylthionphosphatidylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.